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116714-46-6
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Basic Information
CAS No.: 116714-46-6
Name: Novaluron
Molecular Structure:
Molecular Structure of 116714-46-6 (Novaluron)
Formula: C17H9ClF8N2O4
Molecular Weight: 492.71
Synonyms: Diamond(insecticide);Difluorobenzamide;Oscar Super;Pedestal;Rimon;
Density: 1.601 g/cm3
Melting Point: 177.5oC
Flash Point: 202℃
Appearance: white
Hazard Symbols: N
Risk Codes: 50/53
Safety: 60-61
PSA: 76.66000
LogP: 5.84760
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Synthetic route
60731-73-9

2,6-difluorobenzoyl isocyanate

116714-47-7

3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline

116714-46-6

1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea

Conditions
ConditionsYield
Heating;82%
3964-52-1

2-chloro 4-aminophenol

116714-46-6

1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 98 percent / KOH / toluene; dimethylsulfoxide / 3 h / 0 °C
2: 82 percent / Heating
View Scheme
60731-73-9

2,6-difluorobenzoyl isocyanate

116714-47-7

3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline

A

614-22-2

1-benzoylurea

B

116714-46-6

1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea

Conditions
ConditionsYield
In chlorobenzene
...Expand
107-30-2

chloromethyl methyl ether

116714-46-6

1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea

1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethyl)phenyl]-3-(2,6-difluorobenzoyl)-1,3-bis(methoxymethyl)urea

Conditions
ConditionsYield
With sodium hydride In 1-methyl-pyrrolidin-2-one at 0 - 2℃; for 4h;
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Chemistry

Molecule structure of Novaluron (CAS NO.116714-46-6):

IUPAC Name: N-[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide 
Molecular Weight: 492.704586 g/mol
Molecular Formula: C17H9ClF8N2O4 
Density: 1.601 g/cm3
Index of Refraction: 1.513
Molar Refractivity: 92.53 cm3
Molar Volume: 307.6 cm3
Polarizability: 36.68×10-24 cm3
Surface Tension: 39.3 dyne/cm 
Melting Point: 177.5 deg C 
Water Solubility: 0.0531 mg/L
Storage Temp.: 0-6 °C
XLogP3: 5.8
H-Bond Donor: 2
H-Bond Acceptor: 12
Rotatable Bond Count: 6
Tautomer Count: 5
Exact Mass: 492.01231
MonoIsotopic Mass: 492.01231
Topological Polar Surface Area: 76.7
Heavy Atom Count: 32
Complexity: 661
Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F
InChI: InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
InChIKey: NJPPVKZQTLUDBO-UHFFFAOYSA-N
Classification Code of Novaluron (CAS NO.116714-46-6): Insect growth regulator; Insecticide

Safety Profile

 Hazardous Substances Data: 116714-46-6(Hazardous Substances Data)

Specification

 Novaluron (CAS NO.116714-46-6) is also named as HSDB 7004 ; Rimon ; Benzamide, N-(((3-chloro-4-(1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy)phenyl)amino)carbonyl)-2,6-difluoro- ; Benzamide, N-3-chloro-4-(1,1,2-trifluoro)-2-(trifluoromethoxy)ethoxyphenyl-amino-carbonyl-2,6-difluoro- .